| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 32 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.39 | 11.7 | -69.37 | 1 | 6 | 0 | 74 | 501.421 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 9.17 | -55.55 | 0 | 6 | -1 | 73 | 500.413 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 1.04 | -48.94 | 1 | 6 | 1 | 68 | 502.429 | 8 | ↓ |
